CDIF-4-XAS a semantic framework to facilitate XAS data interoperability
Abraham Nieva de la Hidalga
Cardiff University, UK Catalysis Hub, Physical Sciences Data Infrastructure
2025-06-16 · 12:20 BST
In materials science and engineering, researchers employ a wide range of tools and techniques to investigate the properties and behaviours of various substances. These tools—including laboratory instrumentation and computational simulations—generate substantial volumes of data in diverse formats. Notably, this heterogeneity in data formats can arise even within a single analytical technique. For instance, X-ray Absorption Spectroscopy (XAS), a method widely used to probe the structural and electronic characteristics of materials, often produces data in multiple, non-standardised formats. This lack of uniformity presents significant challenges for data reuse, sharing, and integration across research groups and platforms. In this presentation, we introduce the CDIF-4-XAS project, which seeks to enhance the usability and interoperability of XAS data. We outline the development of a semantic data framework designed to harmonise different XAS data formats. This framework will facilitate the creation of tools for validating data quality, converting between established formats, and efficient data discovery and reuse. By aligning with FAIR data principles, the CDIF-4-XAS initiative aims to make XAS data more accessible, reliable, and conducive to collaborative research and advanced analysis.
Acknowledgements
The CDIF-4-EXAFS project is supported by the European Commission as part of the Open Science Clusters’ Action for Research and Society (OSCARS). Principal Investigator: S. Hodson, Codata Project team members: A. Gregory; M. Heikkurinen; L. Liborio; P. Austin; A. Nieva de la Hidalga; H. Görzig; R. Krahl; M. Kubin.